4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]benzamide Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H31N5O3S/c1-22(2,3)19-8-6-18(7-9-19)20(28)23-12-5-17-31(29,30)27-15-13-26(14-16-27)21-24-10-4-11-25-21/h4,6-11H,5,12-17H2,1-3H3,(H,23,28)